(Q33710873)

28 July 2017

title

First-principles thermochemistry for gas phase species in an industrial rutile chlorinator (English)

1 reference

28 July 2017

6

1 reference

28 July 2017

4

Jim Downing

0 references

Raphael Shirley

object named as

Raphael Shirley

1

0 references

author name string

Weerapong Phadungsukanan

2

1 reference

28 July 2017

Markus Kraft

3

1 reference

28 July 2017

Jim Downing

4

1 reference

28 July 2017

Nick E Day

5

1 reference

28 July 2017

language of work or name

English

0 references

publication date

1 November 2010

1 reference

Journal of Physical Chemistry A

28 July 2017

published in

1 reference

28 July 2017

volume

114

1 reference

28 July 2017

issue

43

1 reference

28 July 2017

page(s)

11825-11832

1 reference

The Blue Obelisk-interoperability in chemical informatics

28 July 2017

cites work

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI050400B

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

20 December 2021

1 reference

28 May 2022

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI00057A005

Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles

2 references

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI990052B

5 March 2023

https://opencitations.net/index/coci/api/v1/references/10.1021/JP106795P

Chemical markup, XML and the World-Wide Web. 3. Toward a signed semantic chemical web of trust

5 March 2023

2 references

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI000406V

5 March 2023

https://opencitations.net/index/coci/api/v1/references/10.1021/JP106795P

Chemical Markup, XML and the World-Wide Web. 2. Information Objects and the CMLDOM

5 March 2023

2 references

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI000404A

5 March 2023

https://opencitations.net/index/coci/api/v1/references/10.1021/JP106795P

Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18

5 March 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1021/JP106795P

First-principles thermochemistry for the production of TiO2 from TiCl4.

5 March 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1021/JP106795P

First-principles thermochemistry for silicon species in the decomposition of tetraethoxysilane

5 March 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1021/JP106795P

SMILES. 2. Algorithm for generation of unique SMILES notation

5 March 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1021/JP106795P

Chemical Markup, XML, and the World Wide Web. 4. CML Schema

5 March 2023

2 references

https://opencitations.net/index/coci/api/v1/references/10.1021/JP106795P

5 March 2023

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI0256541

Bringing chemical data onto the Semantic Web.

5 March 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1021/JP106795P

First-principles thermochemistry for the combustion of a TiCl4 and AlCl3 mixture

5 March 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1021/JP106795P

The future of computational modelling in reaction engineering.

5 March 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1021/JP106795P

Development and assessment of new exchange-correlation functionals

5 March 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1021/JP106795P

Quadratic configuration interaction. A general technique for determining electron correlation energies

5 March 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1021/JP106795P

Toward a Comprehensive Model of the Synthesis of TiO2Particles from TiCl4

5 March 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1021/JP106795P

Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions

5 March 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1021/JP106795P

A detailed kinetic model for combustion synthesis of titania from TiCl4

5 March 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1021/JP106795P

The role of the basis set: Assessing density functional theory

5 March 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1021/JP106795P

Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit

5 March 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1021/JP106795P

Hydrolysis of TiCl(4): initial steps in the production of TiO(2).

5 March 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1021/JP106795P

5 March 2023

Identifiers

DOI

10.1021/JP106795P

1 reference

28 July 2017

1 reference